pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone

C14H18N6O2 — CID 155800406

IUPACpyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
SMILESO=C(C1CN(c2ccc3nncn3n2)CCO1)N1CCCC1
InChIInChI=1S/C14H18N6O2/c21-14(18-5-1-2-6-18)11-9-19(7-8-22-11)13-4-3-12-16-15-10-20(12)17-13/h3-4,10-11H,1-2,5-9H2
InChIKeyVIEHEFDPIWKLMB-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.05
Rot. Bonds2

About pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone

pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone (PubChem CID 155800406) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
PubChem CID155800406
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Namepyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone
SMILESO=C(C1CN(c2ccc3nncn3n2)CCO1)N1CCCC1
InChIInChI=1S/C14H18N6O2/c21-14(18-5-1-2-6-18)11-9-19(7-8-22-11)13-4-3-12-16-15-10-20(12)17-13/h3-4,10-11H,1-2,5-9H2
InChIKeyVIEHEFDPIWKLMB-UHFFFAOYSA-N
XLogP-0.05
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone (CID 155800406) is pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone is O=C(C1CN(c2ccc3nncn3n2)CCO1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone?
The InChIKey is VIEHEFDPIWKLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-14(18-5-1-2-6-18)11-9-19(7-8-22-11)13-4-3-12-16-15-10-20(12)17-13/h3-4,10-11H,1-2,5-9H2.
What are the key properties of pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone?
pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone has a molecular weight of 302.34 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 155800406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).